6DDI
| Crystal Structure of the human BRD2 BD1 bromodomain in complex with a Tetrahydroquinoline analogue | Descriptor: | 1,2-ETHANEDIOL, 4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile, Bromodomain-containing protein 2, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2018-05-10 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Bromodomain-Selective BET Inhibitors Are Potent Antitumor Agents against MYC-Driven Pediatric Cancer. Cancer Res., 80, 2020
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5CLV
| Crystal Structure of KorA-operator DNA complex (KorA-OA) | Descriptor: | 5'-D(CP*CP*AP*AP*GP*TP*TP*TP*AP*GP*CP*TP*AP*AP*AP*CP*TP*TP*GP*GP*)-3', TrfB transcriptional repressor protein | Authors: | White, S.A, Hyde, E.I, Rajasekar, K.V. | Deposit date: | 2015-07-16 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Flexibility of KorA, a plasmid-encoded, global transcription regulator, in the presence and the absence of its operator. Nucleic Acids Res., 44, 2016
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5CKT
| Crystal Structure of KorA, a plasmid-encoded, global transcription regulator | Descriptor: | ACETATE ION, TrfB transcriptional repressor protein | Authors: | White, S.A, Hyde, E.I, Lovering, A.L. | Deposit date: | 2015-07-15 | Release date: | 2016-04-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Flexibility of KorA, a plasmid-encoded, global transcription regulator, in the presence and the absence of its operator. Nucleic Acids Res., 44, 2016
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5CM3
| Crystal Structure of KorA, a plasmid-encoded, global transcription regulator | Descriptor: | 5'-D(CP*CP*AP*AP*GP*TP*TP*TP*AP*GP*CP*TP*AP*AP*AP*CP*TP*TP*GP*GP*)-3', TrfB transcriptional repressor protein | Authors: | White, S.A, Hyde, E.I, Rajasekar, K.V. | Deposit date: | 2015-07-16 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.302 Å) | Cite: | Flexibility of KorA, a plasmid-encoded, global transcription regulator, in the presence and the absence of its operator. Nucleic Acids Res., 44, 2016
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6B3V
| PANK3 complex with compound PZ-2891 | Descriptor: | 1,2-ETHANEDIOL, 6-(4-{[4-(propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridazine-3-carbonitrile, MAGNESIUM ION, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2017-09-25 | Release date: | 2018-08-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | A therapeutic approach to pantothenate kinase associated neurodegeneration. Nat Commun, 9, 2018
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1DJL
| THE CRYSTAL STRUCTURE OF HUMAN TRANSHYDROGENASE DOMAIN III WITH BOUND NADP | Descriptor: | GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ... | Authors: | White, S.A, Peak, S.J, Cotton, N.P, Jackson, J.B. | Deposit date: | 1999-12-03 | Release date: | 2000-12-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The high-resolution structure of the NADP(H)-binding component (dIII) of proton-translocating transhydrogenase from human heart mitochondria. Structure Fold.Des., 8, 2000
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6DB0
| N-Terminal bromodomain of Human BRD2 with a Tetrahydroquinoline analogue | Descriptor: | 1,2-ETHANEDIOL, 1-[(2S,4R)-4-[(2-chlorophenyl)amino]-2-methyl-6-(1H-pyrazol-3-yl)-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2018-05-02 | Release date: | 2019-11-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | N-Terminal bromodomain of Human BRD2 with a Tetrahydroquinoline analogue To Be Published
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6DBC
| Second bromodomain of Human BRD2 with a Tetrahydroquinoline analogue | Descriptor: | 1,2-ETHANEDIOL, 1-[(2S,4R)-4-[(2-chlorophenyl)amino]-2-methyl-6-(1H-pyrazol-3-yl)-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one, Bromodomain-containing protein 2 | Authors: | White, S.W, Yun, M. | Deposit date: | 2018-05-03 | Release date: | 2019-11-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Second bromodomain of Human BRD2 with a Tetrahydroquinoline analogue To Be Published
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3H7U
| Crystal structure of the plant stress-response enzyme AKR4C9 | Descriptor: | ACETATE ION, Aldo-keto reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | White, S.A, Simpson, P.J, Ride, J.P. | Deposit date: | 2009-04-28 | Release date: | 2009-08-04 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Characterization of two novel aldo-keto reductases from Arabidopsis: expression patterns, broad substrate specificity, and an open active-site structure suggest a role in toxicant metabolism following stress. J.Mol.Biol., 392, 2009
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3H7R
| Crystal structure of the plant stress-response enzyme AKR4C8 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Aldo-keto reductase, ... | Authors: | White, S.A, Simpson, P.J, Ride, J.P. | Deposit date: | 2009-04-28 | Release date: | 2009-08-04 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Characterization of two novel aldo-keto reductases from Arabidopsis: expression patterns, broad substrate specificity, and an open active-site structure suggest a role in toxicant metabolism following stress. J.Mol.Biol., 392, 2009
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1POB
| CRYSTAL STRUCTURE OF COBRA-VENOM PHOSPHOLIPASE A2 IN A COMPLEX WITH A TRANSITION-STATE ANALOGUE | Descriptor: | 1-O-OCTYL-2-HEPTYLPHOSPHONYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, CALCIUM ION, PHOSPHOLIPASE A2 | Authors: | White, S.P, Scott, D.L, Otwinowski, Z, Sigler, P.B. | Deposit date: | 1992-09-07 | Release date: | 1993-10-31 | Last modified: | 2019-08-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of cobra-venom phospholipase A2 in a complex with a transition-state analogue. Science, 250, 1990
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3TYA
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2QB7
| Saccharomyces cerevisiae cytosolic exopolyphosphatase, phosphate complex | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, COBALT (II) ION, ... | Authors: | White, S.A, Ugochukwu, E. | Deposit date: | 2007-06-16 | Release date: | 2007-12-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The crystal structure of the cytosolic exopolyphosphatase from Saccharomyces cerevisiae reveals the basis for substrate specificity. J.Mol.Biol., 371, 2007
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2QB8
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3O9O
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1ELH
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7JM5
| Crystal structure of KDM4B in complex with QC6352 | Descriptor: | 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 4B, NICKEL (II) ION, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2020-07-31 | Release date: | 2022-02-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Targeting KDM4 for treating PAX3-FOXO1-driven alveolar rhabdomyosarcoma. Sci Transl Med, 14, 2022
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8C5P
| E. coli NfsB mutant N71S T41L with acetate | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Day, M.A, White, S.A, Hyde, E.I. | Deposit date: | 2023-01-10 | Release date: | 2023-04-19 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structure and Dynamics of Three Escherichia coli NfsB Nitro-Reductase Mutants Selected for Enhanced Activity with the Cancer Prodrug CB1954. Int J Mol Sci, 24, 2023
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8CCV
| E. coli NfsB mutant T41LN71S with nicotinate | Descriptor: | FLAVIN MONONUCLEOTIDE, NICOTINIC ACID, Oxygen-insensitive NAD(P)H nitroreductase | Authors: | Day, M.A, White, S.A, Hyde, E.I, Searle, P.F. | Deposit date: | 2023-01-27 | Release date: | 2023-04-19 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and Dynamics of Three Escherichia coli NfsB Nitro-Reductase Mutants Selected for Enhanced Activity with the Cancer Prodrug CB1954. Int J Mol Sci, 24, 2023
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6WIJ
| The crystal structure of the 2009/H1N1/California PA endonuclease mutant I38T in complex with SJ000986448 | Descriptor: | 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | Deposit date: | 2020-04-10 | Release date: | 2021-04-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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6WJ4
| The crystal structure of the 2009/H1N1/California PA endonuclease wild type in complex with SJ000986448 | Descriptor: | 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | Deposit date: | 2020-04-11 | Release date: | 2021-04-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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2FR8
| Structure of transhydrogenase (dI.R127A.NAD+)2(dIII.NADP+)1 asymmetric complex | Descriptor: | NAD(P) transhydrogenase subunit alpha part 1, NAD(P) transhydrogenase subunit beta, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Brondijk, T.H, van Boxel, G.I, Mather, O.C, Quirk, P.G, White, S.A, Jackson, J.B. | Deposit date: | 2006-01-19 | Release date: | 2006-02-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Role of Invariant Amino Acid Residues at the Hydride Transfer Site of Proton-translocating Transhydrogenase. J.Biol.Chem., 281, 2006
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2FRD
| Structure of Transhydrogenase (dI.S138A.NADH)2(dIII.NADPH)1 asymmetric complex | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, NAD(P) transhydrogenase subunit alpha part 1, NAD(P) transhydrogenase subunit beta, ... | Authors: | Brondijk, T.H, van Boxel, G.I, Mather, O.C, Quirk, P.G, White, S.A, Jackson, J.B. | Deposit date: | 2006-01-19 | Release date: | 2006-02-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The Role of Invariant Amino Acid Residues at the Hydride Transfer Site of Proton-translocating Transhydrogenase. J.Biol.Chem., 281, 2006
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3TS3
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1FJ8
| THE STRUCTURE OF BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE I IN COMPLEX WITH CERULENIN, IMPLICATIONS FOR DRUG DESIGN | Descriptor: | (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE I | Authors: | Price, A.C, Choi, K, Heath, R.J, Li, Z, White, S.W, Rock, C.O. | Deposit date: | 2000-08-07 | Release date: | 2000-08-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Inhibition of beta-ketoacyl-acyl carrier protein synthases by thiolactomycin and cerulenin. Structure and mechanism. J.Biol.Chem., 276, 2001
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